(1R,2S,5S)-N-[(2S)-4-Amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H47N5O5
Molecular Weight	521.6926
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1R,2S,5S)-N-[(2S)-4-Amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Structure Search

SMILES

CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC3CCC3)C(O)C(N)=O)C2(C)C)C(C)(C)C

InChI

InChIKey=FEBWCINGHXXUCV-LXAIKABNSA-N

InChI=1S/C27H47N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-20,33H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16-,17-,18-,19?,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H47N5O5
Molecular Weight	521.6926
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:06:30 GMT 2025` Edited by `admin` on `Wed Apr 02 05:06:30 GMT 2025`
Record UNII	WTG8T69T2G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1R,2S,5S)-N-[(2S)-4-Amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Systematic Name

English

BOCEPREVIR METABOLITE M28

Preferred Name

English

(2R,3S)-3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-hydroxybutanamide

Systematic Name

English

3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S,2R)-3-amino-1-(cyclobutylmethyl)-2-hydroxy-3-oxopropyl]-3-[(2S)-2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-

Systematic Name

English

(1S,4S,5R)-N-((1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2-HYDROXY-3-OXO-PROPYL)-3-((2S)-2-(TERT-BUTYLCARBAMOYLAMINO)-3,3-DIMETHYL-BUTANOYL)-6,6-DIMETHYL-3-AZABICYCLO(3.1.0)HEXANE-4-CARBOXAMIDE

Systematic Name

English

SCH 783007

Common Name

English

Code System Code Type Description

FDA UNII

WTG8T69T2G

Created by admin on Wed Apr 02 05:06:30 GMT 2025 , Edited by admin on Wed Apr 02 05:06:30 GMT 2025

PRIMARY

PUBCHEM

135001721

Created by admin on Wed Apr 02 05:06:30 GMT 2025 , Edited by admin on Wed Apr 02 05:06:30 GMT 2025

PRIMARY

CAS

1809166-23-1

Created by admin on Wed Apr 02 05:06:30 GMT 2025 , Edited by admin on Wed Apr 02 05:06:30 GMT 2025

PRIMARY

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